Related papers: A Generalized Quasi-Nonlocal Atomistic-to-Continuu…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
We formulate a patch test consistent atomistic-to-continuum coupling (a/c) scheme that employs a second-order (potentially higher-order) finite element method in the material bulk. We prove a sharp error estimate in the energy-norm, which…
We present sharp convergence results for the Cauchy--Born approximation of general classical atomistic interactions, for both static and dynamic problems, for small data.
We study the atomistic-to-continuum limit for a model of a quasi-static crack evolution driven by time-dependent boundary conditions. We consider a two-dimensional atomic mass spring system whose interactions are modeled by classical…
Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. This paper studies the continuous and discrete formulations of three existing approaches for the…
The quasicontinuum (QC) method, originally proposed by Tadmor, Ortiz and Phillips in 1996, is a computational technique that can efficiently handle regular atomistic lattices by combining continuum and atomistic approaches. In the present…
Coupled mode theory (CMT) is a powerful framework for decomposing interactions between electromagnetic waves and scattering bodies into resonances and their couplings with power-carrying channels. It has widespread use in few-resonance,…
In this article, we prove the convergence of a semi-discrete numerical method applied to a general class of nonlocal nonlinear wave equations where the nonlocality is introduced through the convolution operator in space. The most important…
This paper addresses the problem of consistent energy-based coupling of atomistic and continuum models of materials, limited to zero-temperature statics of simple crystals. It has been widely recognized that the most practical coupled…
We formulate a new Hartree-Fock-Bogoliubov method applicable to weakly bound deformed nuclei using the coordinate-space Green's function technique. An emphasis is put on treatment of quasiparticle states in the continuum, on which we impose…
We investigate a quasicontinuum method by means of analytical tools. More precisely, we compare a discrete-to-continuum analysis of an atomistic one-dimensional model problem with a corresponding quasicontinuum model. We consider next and…
Inspired by the blending method developed by [P. Seleson, S. Beneddine, and S. Prudhome, \emph{A Force-Based Coupling Scheme for Peridynamics and Classical Elasticity}, (2013)] for the nonlocal-to-local coupling, we create a symmetric and…
The development of patch test consistent quasicontinuum energies for multi-dimensional crystalline solids modeled by many-body potentials remains a challenge. The original quasicontinuum energy (QCE) has been implemented for many-body…
A common observation from an atomistic to continuum coupling method is that the error is often generated and concentrated near the interface, where the two models are combined. In this paper, a new method is proposed to suppress the error…
Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…
The development of consistent and stable quasicontinuum models for multi-dimensional crystalline solids remains a challenge. For example, proving stability of the force-based quasicontinuum (QCF) model remains an open problem. In 1D and 2D,…
We derive a model problem for quasicontinuum approximations that allows a simple, yet insightful, analysis of the optimal-order convergence rate in the continuum limit for both the energy-based quasicontinuum approximation and the…
Atomistic-to-Continuum (AtC) coupling methods are a novel means of computing the properties of a discrete crystal structure, such as those containing defects, that combine the accuracy of an atomistic (fully discrete) model with the…
We consider atomistic systems consisting of interacting particles arranged in atomic lattices whose quasi-static evolution is driven by time-dependent boundary conditions. The interaction of the particles is modeled by classical interaction…
We study gradient field models on an integer lattice with non-convex interactions. These models emerge in distinct branches of physics and mathematics under various names. In particular, as zero-mass lattice (Euclidean) quantum field…